2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile

C19H25N5 — CID 84744768

IUPAC2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2nc(-c3ccccc3)n(C)c2C)CC1
InChIInChI=1S/C19H25N5/c1-4-23-10-12-24(13-11-23)17(14-20)18-15(2)22(3)19(21-18)16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3
InChIKeyVEMRGQJGWTXRGG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.60
Rot. Bonds4

About 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile

2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile (PubChem CID 84744768) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
PubChem CID84744768
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2nc(-c3ccccc3)n(C)c2C)CC1
InChIInChI=1S/C19H25N5/c1-4-23-10-12-24(13-11-23)17(14-20)18-15(2)22(3)19(21-18)16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3
InChIKeyVEMRGQJGWTXRGG-UHFFFAOYSA-N
XLogP2.60
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile (CID 84744768) is 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile is CCN1CCN(C(C#N)c2nc(-c3ccccc3)n(C)c2C)CC1.
What is the InChIKey of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The InChIKey is VEMRGQJGWTXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-4-23-10-12-24(13-11-23)17(14-20)18-15(2)22(3)19(21-18)16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3.
What are the key properties of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile has a molecular weight of 323.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84744768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).